%mem=16GB
%chk=I7-R1a.chk
#p opt freq wb97xd/genecp scrf=(smd,solvent=thf)

title

0 1
 C    -1.026601    -0.403791     1.038797
 H    -0.528785    -1.238262     1.541478
 H    -1.258354     0.324979     1.825958
 C    -0.115087     0.190979     0.037048
 H    -0.746452     0.302567    -0.792062
 B    -2.289245    -0.852338     0.271243
 O    -2.923836    -0.067089    -0.661215
 O    -2.971775    -2.025513     0.515914
 C    -4.235567    -0.622480    -0.872938
 C    -4.029831    -2.121218    -0.459540
 C     2.304801     0.014498    -0.253629
 C     2.069796     1.250384     0.174027
 C    -3.509950    -2.993107    -1.603157
 H    -3.198810    -3.961549    -1.197566
 H    -4.285299    -3.166987    -2.357805
 H    -2.643069    -2.533790    -2.091729
 C    -5.243406    -2.776265     0.182051
 H    -5.012908    -3.816851     0.434208
 H    -5.543008    -2.262234     1.098964
 H    -6.089907    -2.773287    -0.515843
 C    -5.190595     0.125192     0.058751
 H    -4.928752    -0.042112     1.109661
 H    -5.115336     1.199018    -0.145048
 H    -6.229419    -0.185243    -0.097843
 C    -4.643989    -0.402860    -2.322788
 H    -3.890672    -0.787560    -3.019868
 H    -5.602643    -0.900814    -2.529434
 H    -4.767524     0.672661    -2.513400
 B     0.614057     1.524152     0.295918
 O     0.257204     1.983232     1.632599
 O     0.240786     2.581040    -0.572919
 C     0.007930     3.325678     1.551300
 C    -0.511244     3.462316     0.106773
 C    -0.985950     3.725717     2.633979
 H    -1.306141     4.767570     2.517279
 H    -1.869343     3.083088     2.612822
 H    -0.522123     3.624713     3.621131
 C     1.309170     4.107053     1.757873
 H     1.144065     5.188490     1.811374
 H     1.765817     3.782530     2.698123
 H     2.014992     3.901905     0.947697
 C    -0.314845     4.824358    -0.513972
 H     0.746442     5.079021    -0.590631
 H    -0.740206     4.799882    -1.536341
 H    -0.820398     5.609413     0.059787
 C    -1.959923     3.040550    -0.017389
 H    -2.654678     3.764763     0.419275
 H    -2.186112     2.941183    -1.090303
 H    -2.106440     2.070140     0.466215
 C     1.035099    -0.755479    -0.322754
 H     0.900002    -1.233900    -1.309614
 H     2.920959     1.900381     0.341536
 C     3.585450    -0.589900    -0.630458
 C     3.762585    -1.974168    -0.708745
 C     4.675741     0.236100    -0.961011
 C     4.999448    -2.526442    -1.084681
 H     2.937162    -2.636253    -0.464284
 C     5.911499    -0.310126    -1.338211
 H     4.554404     1.316712    -0.929741
 C     6.074387    -1.693873    -1.399093
 H     5.116012    -3.606330    -1.129408
 H     6.740666     0.347741    -1.588114
 H     7.030481    -2.119509    -1.693002
 K     0.841557     1.740401    -2.321061
 C     1.104390    -1.886669     0.684033
 C     0.578694    -3.135882     0.361989
 C     1.693228    -1.689524     1.932229
 C     0.636602    -4.193866     1.289123
 H     0.113164    -3.294183    -0.620493
 C     1.757247    -2.743019     2.863829
 H     2.111070    -0.706557     2.184617
 C     1.227720    -3.990200     2.538075
 H     0.218604    -5.177841     1.031576
 H     2.223839    -2.582672     3.846710
 H     1.275225    -4.814610     3.264380
 
-K
 lanl2dz
 D    1 1.00
 1.0000000           1.0
 ****
 -O C H B
 6-31g(d,p)
 ******

 -K 1
 lanl2dz






